Geometry & MOs

Info

ID:	376117
PubChem CID:	134222120
Reduced:	BrClF2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	410.0857
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	3.97
IP(EA), eV:	-9.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-1-ethyl-2,3-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)C)Cl)C(F)F)Br

DOS

IR

Vibrations